Cluster structures by fingerprints and inspect the clustering statistics to choose a good number of clusters. Create automatically the optimum number of clusters based on the Kelley penalty. Select diverse representatives per cluster.
[Requires: Canvas]
Workflow 
Cluster by Fingerprint
Used extensions & nodes
Created with KNIME Analytics Platform version 4.0.1
- Go to item
KNIME AG, Zurich, Switzerland
Version 3.7.1
- Go to item
Schrödinger
Version 19.4.7
Loading deployments
Loading ad hoc executions
Legal
By using or downloading the workflow, you agree to our terms and conditions.